2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C13H12N4OS — CID 134791552

IUPAC2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3cccs3)cn2n1
InChIInChI=1S/C13H12N4OS/c1-9-5-12-14-6-10(8-17(12)16-9)13(18)15-7-11-3-2-4-19-11/h2-6,8H,7H2,1H3,(H,15,18)
InChIKeyQDDWVYUEUFMAMW-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.03
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 134791552) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID134791552
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1cc2ncc(C(=O)NCc3cccs3)cn2n1
InChIInChI=1S/C13H12N4OS/c1-9-5-12-14-6-10(8-17(12)16-9)13(18)15-7-11-3-2-4-19-11/h2-6,8H,7H2,1H3,(H,15,18)
InChIKeyQDDWVYUEUFMAMW-UHFFFAOYSA-N
XLogP2.03
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 134791552) is 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is Cc1cc2ncc(C(=O)NCc3cccs3)cn2n1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QDDWVYUEUFMAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9-5-12-14-6-10(8-17(12)16-9)13(18)15-7-11-3-2-4-19-11/h2-6,8H,7H2,1H3,(H,15,18).
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 134791552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).